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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179459

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1179459
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Sn', 'C', 'Se', 'N', 'O']
  • Chemical System: C-N-O-Se-Sn
  • Density: 3.6790097858416035
  • Atomic Density: 0.0378167726734992
  • Unit Cell Volume: 687.5256179176807
  • Molar Volume: 15.924523258485584
  • Full Formula: Sn5 C8 Se10 N2 O1
  • Reduced Formula: Sn5C8Se10N2O
  • Formula Anonymous: AB2C5D8E10
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -139.46415145
  • Final energy per atom: -5.3640058250000004
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.